REAL300018415401.mol2 39                                                        
   1       O    -0.67   -24.30    17.33     -20.23      -0.35   -24.65     16
   2       C     0.48    15.90     8.13      36.01       0.29    16.20     16
   3       O    -0.69   -24.75    18.00     -20.23      -0.36   -25.12     16
   4       C     0.06     1.64     6.93      -5.20      -0.04     1.60     16
   5       N    -0.36    -8.69     3.14     -59.89      -0.19    -8.88     16
   6       N    -0.25    -5.66    12.40      31.88       0.40    -5.27     16
   7       C     0.05     0.99    12.28     -15.14      -0.19     0.81     16
   8       C    -0.23    -4.11     6.36    -105.16      -0.67    -4.78     16
   9       C     0.00    -0.01    10.05     -39.62      -0.40    -0.41     16
  10       C    -0.23    -2.75     9.23     -39.76      -0.37    -3.12     16
  11       C     0.25     3.28     6.64     -83.77      -0.56     2.72     16
  12       N    -0.75    -6.68     5.72     -59.79      -0.34    -7.02     16
  13       C     0.17     0.85     5.02      -5.19      -0.03     0.82     16
  14       C    -0.09    -0.37     5.25    -104.53      -0.55    -0.92     16
  15       C    -0.05    -0.22     9.68     -39.63      -0.38    -0.61     16
  16       C    -0.11    -0.68     9.75     -39.25      -0.38    -1.06     16
  17       C     0.33     2.85     9.80     -38.73      -0.38     2.47     16
  18       O    -0.68   -10.46    17.25     -57.73      -1.00   -11.46     16
  19       O    -0.67   -10.51    17.25     -57.73      -1.00   -11.50     16
  20       C    -0.11    -0.64     9.75     -39.25      -0.38    -1.02     16
  21       C    -0.06    -0.20     9.68     -39.63      -0.38    -0.58     16
  22       C    -0.21    -3.85     9.83     -39.22      -0.39    -4.24     16
  23       C     0.19     3.95     6.86     -84.18      -0.58     3.37     16
  24       H     0.09     2.15     8.14     -51.93      -0.42     1.73     16
  25       H     0.09     1.94     8.13     -51.93      -0.42     1.52     16
  26       H     0.19     2.41     8.06     -52.49      -0.42     1.99     16
  27       H     0.12     1.23     8.06     -52.49      -0.42     0.81     16
  28       H     0.12     1.00     6.67     -52.49      -0.35     0.65     16
  29       H     0.40     3.45     8.46     -40.82      -0.35     3.10     16
  30       H     0.08     0.30     7.87     -51.93      -0.41    -0.11     16
  31       H     0.08     0.35     7.87     -51.93      -0.41    -0.05     16
  32       H     0.17     0.41     8.06     -52.49      -0.42    -0.01     16
  33       H     0.17     1.11     7.77     -52.49      -0.41     0.71     16
  34       H     0.33     4.25     8.90      45.56       0.41     4.66     16
  35       H     0.33     4.29     8.90      45.56       0.41     4.69     16
  36       H     0.17     1.01     7.77     -52.49      -0.41     0.60     16
  37       H     0.17     0.23     8.06     -52.48      -0.42    -0.19     16
  38       H     0.12     2.11     8.06     -52.49      -0.42     1.69     16
 Total:         -1.00   -48.19   347.12                 -7.46   -55.65